aculene A
CHEBI:156057 EXACT SEEDED
What these status tags mean
Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.
Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.
A carboxylic ester resulting from the formal condensation of the hydroxy group of aculene C with the carboxylic acid group of L-proline. It is a sesquiterpenoid isolated from the fungus Aspergillus aculeatus.
Structure
| Standard InChIKey | LOOAMPJDSIVZQC-IEZWGBDMSA-N |
|---|---|
| SMILES | CCC1=CC(=O)[C@@]2(C1=CC=C(C[C@@H]2OC(=O)[C@@H]3CCCN3)C)C |
| Stereochemistry | fully defined |
| Cross-references | npatlas:NPA007875 |
Filing pathway
Terpenoids — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is terpene, from MIBiG.
Producer organisms 1
A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.
| Taxon | Basis | Cluster | Evidence |
|---|---|---|---|
| Aspergillus aculeatus ATCC 16872 NCBITaxon:690307 |
BGC_CHARACTERIZED | mibig:BGC0002225 | PMID:31618514 |
Occurrences 2
Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.
| Taxon | Source | Reference |
|---|---|---|
| Aspergillus aculeatus NCBITaxon:5053 |
LOTUS | DOI:10.3390/MOLECULES190810898 |
| Aspergillus aculeatus NCBITaxon:5053 |
CHEBI | PMID:25068785 |
Biosynthetic gene clusters 1
| Accession | Host | Locus evidence | Genome |
|---|---|---|---|
| mibig:BGC0002225 | Aspergillus aculeatus ATCC 16872 NCBITaxon:690307 |
CLUSTER_DEMONSTRATED | genbank:KV878977.1 |
A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.
Mechanism & Biosynthesis Overview
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Provenance
| Source concept | Source | Version |
|---|---|---|
| BGC0002225 | MIBIG | 3 |
| CHEBI:156057 | CHEBI | 3-star |
This page is generated from data/natural_products/terpenoids/aculene-a.yaml, which is generated from the committed inventories. Neither is edited by hand.